Glycoside
GD010993
Name:
NoneFormula:
C44H74O11N6Smiles:
CO[C@@]1(C)C[C@H](C)[C@H](O)[C@H](C)CN(C)C[C@H](Cn2cc(-c3ccccn3)nn2)OC(=O)[C@@H](C)[C@H](O[C@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1OAglycone:
COC1(C)CC(C)C(O)C(C)CN(C)CC(Cn2cc(-c3ccccn3)nn2)OC(=O)C(C)C(O)C(C)C1OC1OC(C)CC(N(C)C)C1OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 10 |
| MolWt: | 863.11 | Num_heavy_atoms: | 61 |
| TPSA: | 192.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD08429
Formula: C36H60O8N6
Smiles:
COC1(C)CC(C)C(O)C(C)CN(C)CC(Cn2cc(-c3ccccn3)nn2)OC(=O)C(C)C(O)C(C)C1OC1OC(C)CC(N(C)C)C1O| HBA: | 14 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 704.91 | Num_heavy_atoms: | 50 |
| TPSA: | 164.76 | NumAromaticRings: | 2 |
